1-(4-carboxynaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-carboxynaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-carboxy-1-naphthyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-carboxy-1-naphthalenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-carboxynaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-carboxy-1-naphthyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)C(=O)O)C(=O)O

InChI

InChI=1S/C23H18N2O6/c1-30-19-8-5-9-20(31-2)21(19)18-12-16(23(28)29)24-25(18)17-11-10-15(22(26)27)13-6-3-4-7-14(13)17/h3-12H,1-2H3,(H,26,27)(H,28,29)